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Title: Materials Data on Cs2InCl5O by Materials Project

Abstract

Cs2InOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to one O and nine Cl atoms. The Cs–O bond length is 3.30 Å. There are a spread of Cs–Cl bond distances ranging from 3.49–4.11 Å. In is bonded in a trigonal bipyramidal geometry to one O and four Cl atoms. The In–O bond length is 2.16 Å. There are a spread of In–Cl bond distances ranging from 2.45–2.54 Å. O is bonded in a distorted water-like geometry to two equivalent Cs, one In, and one Cl atom. The O–Cl bond length is 1.69 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to two equivalent Cs and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one In atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one In atom. In the fourth Cl site, Cl is bonded to four equivalent Cs and one In atom to form a mixture of distorted edge and corner-sharing ClCs4In square pyramids.

Publication Date:
Other Number(s):
mp-1200718
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2InCl5O; Cl-Cs-In-O
OSTI Identifier:
1707599
DOI:
https://doi.org/10.17188/1707599

Citation Formats

The Materials Project. Materials Data on Cs2InCl5O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707599.
The Materials Project. Materials Data on Cs2InCl5O by Materials Project. United States. doi:https://doi.org/10.17188/1707599
The Materials Project. 2020. "Materials Data on Cs2InCl5O by Materials Project". United States. doi:https://doi.org/10.17188/1707599. https://www.osti.gov/servlets/purl/1707599. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707599,
title = {Materials Data on Cs2InCl5O by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2InOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to one O and nine Cl atoms. The Cs–O bond length is 3.30 Å. There are a spread of Cs–Cl bond distances ranging from 3.49–4.11 Å. In is bonded in a trigonal bipyramidal geometry to one O and four Cl atoms. The In–O bond length is 2.16 Å. There are a spread of In–Cl bond distances ranging from 2.45–2.54 Å. O is bonded in a distorted water-like geometry to two equivalent Cs, one In, and one Cl atom. The O–Cl bond length is 1.69 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to two equivalent Cs and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one In atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one In atom. In the fourth Cl site, Cl is bonded to four equivalent Cs and one In atom to form a mixture of distorted edge and corner-sharing ClCs4In square pyramids.},
doi = {10.17188/1707599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}